{ [4-6-.eta(3).]-2-Benzyl-1-methoxy-2-aza-5-hexen-4-yl-1-ylidene} tricarbonyl iron(II)-tetrafluoroborate

SpectraBase Compound ID	116DuVzyrz2
InChI	InChI=1S/C13H16NO.3CO.BF4.Fe/c1-3-4-10-14(12-15-2)11-13-8-6-5-7-9-13;3*1-2;2-1(3,4)5;/h3-9H,1,10-11H2,2H3;;;;;/q;;;;+1;
InChIKey	DKSWHKVZUFOKKM-UHFFFAOYSA-N Google Search
Mol Weight	428.96 g/mol
Molecular Formula	C16H16BF4FeNO4
Exact Mass	429.045787 g/mol

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SpectraBase Spectrum ID	7fAMPsOewu1
Name	{ [4-6-.eta(3).]-2-Benzyl-1-methoxy-2-aza-5-hexen-4-yl-1-ylidene} tricarbonyl iron(II)-tetrafluoroborate
Alternate Name(s)	3-Benzyl-1,1,1-tris(hydroxymethyl)-2-methoxy-3-aza-1-ferratricyclo[3.2.0.0(1,6)]hept-1-ene; tetrafluoroboranium
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C16H16BF4FeNO4
InChI	InChI=1S/C13H16NO.3CO.BF4.Fe/c1-3-4-10-14(12-15-2)11-13-8-6-5-7-9-13;3*1-2;2-1(3,4)5;/h3-9H,1,10-11H2,2H3;;;;;/q;;;;+1;
InChIKey	DKSWHKVZUFOKKM-UHFFFAOYSA-N
Molecular Weight	428.956 g/mol
SMILES	[B+](F)(F)(F)F.[C@]12([Fe]=3([C@@]2(CN(C3OC)Cc2ccccc2)[H])(C1)(C#[O])(C#[O])C#[O])[H]
SPLASH	splash10-0a4l-9200000000-8af59760c6e76d799905
Source of Spectrum	K-127-714-11
Wiley ID	1381101